A0A3Q0KGA0_SCHMA Loading...

Dynein light chain roadblock

AlphaFold DB (Q15ET8), UniProt , Accession A0A3Q0KGA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 97 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.6Low89.8Confident161 Ų16193.9 Ų93.979%0.79346%0.462SS*.  0138.10-158.1170.2-70.600105.8E5 E6 K9M1-E5 HydrophobicContact CG-CB 3.94Å; M1-E5 HydrophobicContact SD-CB 4.48Å; M1-E6 HydrophobicContact SD-CG 4.45Å; M1-K9 HydrophobicContact SD-CD 4.42Å; M1-K9 PolarHBondContact SD-NZ 2.8Å
2S84.3Confident90.4Very high71 Ų7190.9 Ų90.950%0.49745%0.449SS..  trans-72.4144.8-178.957.40000110V4 E5 E6S2-V4 PolarHBondContact O-N 2.88Å; S2-E5 WeakPolarHBondContact O-CB 3.26Å; S2-E5 PolarHBondContact O-N 3.05Å; S2-E5 WeakPolarHBondContact OG-CG 3.44Å; S2-E6 PolarHBondContact O-N 3.35Å
3E91.9Very high90.8Very high159 Ų15990.4 Ų90.474%0.74347%0.468SS*.Hα-helixtrans-48.6-33.7178.9-177.7-179.3-175.900113.4E6 T7E3-E6 PolarHBondContact O-N 3.09Å; E3-T7 WeakPolarHBondContact O-CB 3.49Å; E3-T7 PolarHBondContact O-N 2.96Å; E3-T7 PolarHBondContact O-OG1 3.48Å
4V89.3Confident91.2Very high85 Ų8591.8 Ų91.852%0.51547%0.47SS..Hα-helixtrans-61.7-44176-179.80000111.9S2 T7 F8 I22S2-V4 PolarHBondContact O-N 2.88Å; V4-T7 PolarHBondContact O-N 3.43Å; V4-F8 VanDerWaalsContact O-CB 3.27Å; V4-F8 WeakPolarHBondContact O-CB 3.31Å; V4-F8 PolarHBondContact O-N 2.78Å; V4-I22 HydrophobicContact CG1-CD1 4.44Å
5E92.2Very high91.3Very high49 Ų4999.9 Ų99.923%0.22950%0.501CS..Hα-helixtrans-68.9-37.1-179.3-67.7-69.216100111.6M1 S2 F8 K9 R31M1-E5 HydrophobicContact CG-CB 3.94Å; M1-E5 HydrophobicContact SD-CB 4.48Å; S2-E5 WeakPolarHBondContact O-CB 3.26Å; S2-E5 PolarHBondContact O-N 3.05Å; S2-E5 WeakPolarHBondContact OG-CG 3.44Å; E5-F8 PolarHBondContact O-N 2.91Å; E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 VanDerWaalsContact O-CG 3.27Å; E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 2.71Å; E5-R31 IonicContact OE1-CZ 3.61Å; E5-R31 IonicContact OE1-NE 3.59Å; E5-R31 PolarHBondContact OE1-NE 3.28Å; E5-R31 IonicContact OE1-NH2 2.9Å
6E94.8Very high91.5Very high112 Ų11295.5 Ų95.552%0.52349%0.489SS..Hα-helixtrans-66.2-42.5174.7-68.1-179-178.200111.2M1 S2 E3 K9 R10M1-E6 HydrophobicContact SD-CG 4.45Å; S2-E6 PolarHBondContact O-N 3.35Å; E3-E6 PolarHBondContact O-N 3.09Å; E6-K9 PolarHBondContact O-N 3.47Å; E6-R10 WeakPolarHBondContact O-CB 3.11Å; E6-R10 PolarHBondContact O-N 3.26Å
7T94.9Very high91.8Very high65 Ų6591.1 Ų91.140%0.39947%0.468SS..Hα-helixtrans-65.6-41.8176-62.20000111.6E3 V4 R10 L11E3-T7 WeakPolarHBondContact O-CB 3.49Å; E3-T7 PolarHBondContact O-N 2.96Å; E3-T7 PolarHBondContact O-OG1 3.48Å; V4-T7 PolarHBondContact O-N 3.43Å; T7-R10 PolarHBondContact O-N 3.48Å; T7-L11 WeakPolarHBondContact O-CB 3.42Å; T7-L11 PolarHBondContact O-N 3.08Å
8F95.9Very high92Very high19 Ų1991 Ų918%0.08347%0.467CS..Hα-helixtrans-64.8-42.7177-166.5-102.6000111.7V4 E5 R10 L11 L12 A20 I22 R31V4-F8 VanDerWaalsContact O-CB 3.27Å; V4-F8 WeakPolarHBondContact O-CB 3.31Å; V4-F8 PolarHBondContact O-N 2.78Å; E5-F8 PolarHBondContact O-N 2.91Å; F8-R10 PolarHBondContact O-N 2.96Å; F8-L11 WeakPolarHBondContact O-CB 3.5Å; F8-L11 PolarHBondContact O-N 3.33Å; F8-L12 HydrophobicContact CD1-CD1 3.88Å; F8-L12 HydrophobicContact CD1-CG 4.49Å; F8-L12 HydrophobicContact CE1-CD1 3.73Å; F8-L12 HydrophobicContact CE1-CG 4.38Å; F8-L12 WeakPolarHBondContact O-CG 3.47Å; F8-L12 PolarHBondContact O-N 2.71Å; F8-A20 HydrophobicContact CD2-CB 4.47Å; F8-A20 HydrophobicContact CE2-CB 3.63Å; F8-A20 HydrophobicContact CZ-CB 3.86Å; F8-A20 WeakPolarHBondContact CZ-O 3.38Å; F8-I22 HydrophobicContact CD2-CD1 3.95Å; F8-I22 HydrophobicContact CD2-CG1 4.28Å; F8-I22 HydrophobicContact CE2-CD1 4.23Å; F8-I22 HydrophobicContact CE2-CG1 4.1Å; F8-R31 HydrophobicContact CZ-CB 4.46Å
9K95.7Very high92.2Very high110 Ų11086.2 Ų86.248%0.47844%0.442SS..Hα-helixtrans-62.1-42.7173.1-77.2175.5180-179.10112.5M1 E5 E6 L11 L12 A13M1-K9 HydrophobicContact SD-CD 4.42Å; M1-K9 PolarHBondContact SD-NZ 2.8Å; E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 VanDerWaalsContact O-CG 3.27Å; E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 2.71Å; E6-K9 PolarHBondContact O-N 3.47Å; K9-L11 VanDerWaalsContact C-N 3.31Å; K9-L11 PolarHBondContact O-N 3.22Å; K9-L12 PolarHBondContact O-N 2.81Å; K9-A13 PolarHBondContact O-N 2.82Å
10R96.1Very high92.5Very high163 Ų16381.9 Ų81.962%0.61542%0.42SS*.Hα-helixtrans-61.8-41.4176.2-179.8169.355141.8-2.4111.2E6 T7 F8 L12 A13 H14E6-R10 WeakPolarHBondContact O-CB 3.11Å; E6-R10 PolarHBondContact O-N 3.26Å; T7-R10 PolarHBondContact O-N 3.48Å; F8-R10 PolarHBondContact O-N 2.96Å; R10-L12 PolarHBondContact O-N 2.81Å; R10-A13 PolarHBondContact O-N 3.18Å; R10-H14 PolarHBondContact O-CD2 3.49Å
11L96Very high92.8Very high39 Ų3978 Ų7820%0.20440%0.4CS..Hα-helixtrans-57.1-49.1174.8-175.871.1000111.5T7 F8 K9 A13 H14 A20 L88 V90T7-L11 WeakPolarHBondContact O-CB 3.42Å; T7-L11 PolarHBondContact O-N 3.08Å; F8-L11 WeakPolarHBondContact O-CB 3.5Å; F8-L11 PolarHBondContact O-N 3.33Å; K9-L11 VanDerWaalsContact C-N 3.31Å; K9-L11 PolarHBondContact O-N 3.22Å; L11-A13 PolarHBondContact O-N 2.78Å; L11-H14 WeakPolarHBondContact O-CB 3.33Å; L11-H14 PolarHBondContact O-N 2.8Å; L11-A20 HydrophobicContact CD2-CB 3.66Å; L11-L88 HydrophobicContact CD2-CD1 4.03Å; L11-L88 HydrophobicContact CD2-CD2 4.22Å; L11-V90 HydrophobicContact CD1-CG2 4.28Å; L11-V90 HydrophobicContact CD2-CG2 3.86Å; L11-V90 HydrophobicContact CG-CG2 4.45Å
12L96.7Very high94.7Very high58 Ų5871.7 Ų71.730%0.30437%0.37SS..Hα-helixtrans-65.6-24.2178.5-65.8172.7000113.5F8 K9 R10 H14 V17 A20 S33F8-L12 HydrophobicContact CD1-CD1 3.88Å; F8-L12 HydrophobicContact CD1-CG 4.49Å; F8-L12 HydrophobicContact CE1-CD1 3.73Å; F8-L12 HydrophobicContact CE1-CG 4.38Å; F8-L12 WeakPolarHBondContact O-CG 3.47Å; F8-L12 PolarHBondContact O-N 2.71Å; K9-L12 PolarHBondContact O-N 2.81Å; R10-L12 PolarHBondContact O-N 2.81Å; L12-H14 VanDerWaalsContact C-N 3.29Å; L12-H14 PolarHBondContact O-N 2.58Å; L12-V17 HydrophobicContact CD2-CG1 4.22Å; L12-A20 HydrophobicContact CD2-CB 3.92Å; L12-S33 WeakPolarHBondContact CD2-OG 3.38Å
13A96.5Very high95.2Very high84 Ų8468.7 Ų68.769%0.69435%0.348SS*.THydrogen-bonded Turntrans-78.6-9.1178.100000113.7K9 R10 L11K9-A13 PolarHBondContact O-N 2.82Å; R10-A13 PolarHBondContact O-N 3.18Å; L11-A13 PolarHBondContact O-N 2.78Å
14H95.8Very high95.3Very high110 Ų11062 Ų6251%0.50932%0.319SS..SBendtrans-68.5135.8176.2-78.2-88.7000111.4R10 L11 L12 G16 V17R10-H14 PolarHBondContact O-CD2 3.49Å; L11-H14 WeakPolarHBondContact O-CB 3.33Å; L11-H14 PolarHBondContact O-N 2.8Å; L12-H14 VanDerWaalsContact C-N 3.29Å; L12-H14 PolarHBondContact O-N 2.58Å; H14-G16 PolarHBondContact O-N 3.12Å; H14-V17 HydrophobicContact CB-CG2 3.77Å; H14-V17 WeakPolarHBondContact O-CB 3.38Å; H14-V17 PolarHBondContact O-N 3.17Å; H14-V17 VanDerWaalsContact O-N 3.08Å
15K93.2Very high95.4Very high213 Ų21361.3 Ų61.393%0.92632%0.318SS*.THydrogen-bonded Turntrans-55.1131.2177.8-174.7-175.4178-172.60110.5V17K15-V17 VanDerWaalsContact C-N 3.29Å; K15-V17 PolarHBondContact O-N 3.06Å
16G94.2Very high95.3Very high30 Ų3065 Ų6531%0.30934%0.339SS..THydrogen-bonded Turntrans86.7-12.8178.600000114H14 I18 Q92 E93H14-G16 PolarHBondContact O-N 3.12Å; G16-I18 PolarHBondContact O-N 3.31Å; G16-Q92 CarbonylContact O-C 3.54Å; G16-Q92 WeakPolarHBondContact O-CA 3.45Å; G16-Q92 WeakPolarHBondContact O-CB 3.43Å; G16-E93 PolarHBondContact O-N 3.47Å
17V96.3Very high95Very high21 Ų2160.3 Ų60.313%0.12732%0.321CS..EExtended strand (participates in β ladder)trans-69.7119.2172.8178.20000109.5L12 H14 K15 V90 Q92L12-V17 HydrophobicContact CD2-CG1 4.22Å; H14-V17 HydrophobicContact CB-CG2 3.77Å; H14-V17 WeakPolarHBondContact O-CB 3.38Å; H14-V17 PolarHBondContact O-N 3.17Å; H14-V17 VanDerWaalsContact O-N 3.08Å; K15-V17 VanDerWaalsContact C-N 3.29Å; K15-V17 PolarHBondContact O-N 3.06Å; V17-V90 HydrophobicContact CG1-CG1 4.02Å; V17-V90 HydrophobicContact CG2-CG1 4.15Å; V17-Q92 HydrophobicContact CG2-CG 4Å
18I95.5Very high94.9Very high89 Ų8962.5 Ų62.546%0.45633%0.329SS..EExtended strand (participates in β ladder)trans-89.9-37.1176.3-58.7169.6000109.8G16 I91 E93G16-I18 PolarHBondContact O-N 3.31Å; I18-I91 HydrophobicContact CB-CG2 4.34Å; I18-I91 HydrophobicContact CD1-CG2 4.38Å; I18-I91 PolarHBondContact N-O 3.44Å; I18-E93 HydrophobicContact CD1-CB 3.95Å; I18-E93 HydrophobicContact CG1-CB 4.29Å
19G96.9Very high94.9Very high0 Ų063 Ų630%034%0.337CS..EExtended strand (participates in β ladder)trans-170.2166.5178.700000113.8S33 I91G19-S33 WeakPolarHBondContact CA-OG 3.47Å; G19-I91 PolarHBondContact N-O 3.16Å; G19-I91 PolarHBondContact O-N 2.79Å
20A97.8Very high94.9Very high0 Ų060.9 Ų60.90%033%0.333CS..EExtended strand (participates in β ladder)trans-140.3149.9175.400000110.7F8 L11 L12 T32 S33 I89F8-A20 HydrophobicContact CD2-CB 4.47Å; F8-A20 HydrophobicContact CE2-CB 3.63Å; F8-A20 HydrophobicContact CZ-CB 3.86Å; F8-A20 WeakPolarHBondContact CZ-O 3.38Å; L11-A20 HydrophobicContact CD2-CB 3.66Å; L12-A20 HydrophobicContact CD2-CB 3.92Å; A20-T32 WeakPolarHBondContact O-CA 3.3Å; A20-S33 PolarHBondContact N-OG 2.85Å; A20-S33 PolarHBondContact O-N 3.5Å; A20-I89 CarbonylContact C-O 3.56Å; A20-I89 VanDerWaalsContact CA-O 3.22Å; A20-I89 WeakPolarHBondContact CA-O 3.18Å
21I97.7Very high94.8Very high0 Ų059 Ų590%033%0.326CS..EExtended strand (participates in β ladder)trans-138.6131.8179.9-48.2172.5000108.3V23 A29 R31 M34 T39 Y42 I89 I91I21-V23 HydrophobicContact CB-CG2 4.4Å; I21-V23 HydrophobicContact CG2-CG2 3.63Å; I21-A29 HydrophobicContact CG2-CB 3.98Å; I21-R31 CarbonylContact C-O 3.26Å; I21-R31 WeakPolarHBondContact CA-O 3.17Å; I21-M34 HydrophobicContact CD1-SD 4.23Å; I21-M34 HydrophobicContact CG1-SD 4.49Å; I21-T39 HydrophobicContact CD1-CG2 4.22Å; I21-T39 HydrophobicContact CG2-CG2 3.94Å; I21-Y42 HydrophobicContact CD1-CD2 4.33Å; I21-Y42 HydrophobicContact CD1-CG 4.24Å; I21-I89 HydrophobicContact CB-CB 4.25Å; I21-I89 PolarHBondContact N-O 2.79Å; I21-I89 PolarHBondContact O-N 2.97Å; I21-I91 HydrophobicContact CD1-CD1 4.38Å; I21-I91 HydrophobicContact CG1-CD1 4.48Å
22I96.6Very high94.9Very high29 Ų2959.3 Ų59.315%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-103.6119.3167-59.9174.2000106.9V4 F8 A29 V30 R31 Y86 S87 L88V4-I22 HydrophobicContact CG1-CD1 4.44Å; F8-I22 HydrophobicContact CD2-CD1 3.95Å; F8-I22 HydrophobicContact CD2-CG1 4.28Å; F8-I22 HydrophobicContact CE2-CD1 4.23Å; F8-I22 HydrophobicContact CE2-CG1 4.1Å; I22-A29 CarbonylContact O-C 3.48Å; I22-A29 WeakPolarHBondContact O-CA 3.32Å; I22-V30 HydrophobicContact CG2-CB 4.46Å; I22-V30 PolarHBondContact O-N 3.06Å; I22-R31 HydrophobicContact CB-CB 4.22Å; I22-R31 HydrophobicContact CD1-CB 4.21Å; I22-R31 HydrophobicContact CG1-CB 4.4Å; I22-R31 PolarHBondContact N-O 3.3Å; I22-R31 PolarHBondContact O-N 3.48Å; I22-Y86 HydrophobicContact CG2-CD1 4.17Å; I22-S87 WeakPolarHBondContact CA-O 3.37Å; I22-L88 HydrophobicContact CG1-CD1 3.97Å
23V95.9Very high94.9Very high7 Ų759 Ų594%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-113.8134.7-176.1-167.40000108.9I21 G27 I28 C43 Y86 S87 I89I21-V23 HydrophobicContact CB-CG2 4.4Å; I21-V23 HydrophobicContact CG2-CG2 3.63Å; V23-G27 VanDerWaalsContact CG1-C 3.44Å; V23-I28 WeakPolarHBondContact CA-O 3.39Å; V23-C43 HydrophobicContact CG1-CB 4.25Å; V23-C43 HydrophobicContact CG2-CB 4.48Å; V23-C43 WeakPolarHBondContact CG2-SG 3.48Å; V23-Y86 CarbonylContact O-C 3.51Å; V23-Y86 VanDerWaalsContact O-CA 3.25Å; V23-Y86 WeakPolarHBondContact O-CA 3.47Å; V23-S87 PolarHBondContact N-O 2.87Å; V23-S87 PolarHBondContact O-N 3.06Å; V23-I89 HydrophobicContact CG2-CD1 3.62Å; V23-I89 HydrophobicContact CG2-CG1 4.29Å
24S94.3Very high94.9Very high20 Ų2056.8 Ų56.814%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-72.4166.417167.90000111.5D26 G27 I28 D85S24-D26 PolarHBondContact O-N 3.31Å; S24-D26 VanDerWaalsContact O-N 3.16Å; S24-D26 PolarHBondContact OG-N 2.92Å; S24-G27 PolarHBondContact O-N 3.29Å; S24-I28 PolarHBondContact N-O 2.63Å; S24-I28 PolarHBondContact OG-N 3.29Å; S24-I28 PolarHBondContact OG-O 2.77Å; S24-D85 CarbonylContact C-O 3.59Å; S24-D85 WeakPolarHBondContact CA-O 3.46Å
25S90.1Very high95Very high69 Ų6955.4 Ų55.448%0.48330%0.304SS..THydrogen-bonded Turntrans-55-28171.953.60000113.7G27 Q47 D85S25-G27 PolarHBondContact O-N 2.9Å; S25-Q47 PolarHBondContact O-NE2 3.23Å; S25-D85 PolarHBondContact N-O 2.9Å
26D89.8Confident95.1Very high126 Ų12651.2 Ų51.267%0.67429%0.292SS*.THydrogen-bonded Turntrans-76.5-3.1175.3-58.4-45.5000113.9S24 I28S24-D26 PolarHBondContact O-N 3.31Å; S24-D26 VanDerWaalsContact O-N 3.16Å; S24-D26 PolarHBondContact OG-N 2.92Å; D26-I28 HydrophobicContact CB-CD1 4.33Å; D26-I28 HydrophobicContact CB-CG1 4.34Å
27G88.5Confident95.3Very high15 Ų1554 Ų5416%0.15531%0.307CS..SBendtrans84.811.2-178.600000114.7V23 S24 S25V23-G27 VanDerWaalsContact CG1-C 3.44Å; S24-G27 PolarHBondContact O-N 3.29Å; S25-G27 PolarHBondContact O-N 2.9Å
28I93.7Very high95.3Very high111 Ų11155 Ų5557%0.56931%0.313SS*.  trans-95.6128.6-177.1-57.3174.6000109.2V23 S24 D26 V30V23-I28 WeakPolarHBondContact CA-O 3.39Å; S24-I28 PolarHBondContact N-O 2.63Å; S24-I28 PolarHBondContact OG-N 3.29Å; S24-I28 PolarHBondContact OG-O 2.77Å; D26-I28 HydrophobicContact CB-CD1 4.33Å; D26-I28 HydrophobicContact CB-CG1 4.34Å; I28-V30 PolarHBondContact O-N 2.86Å
29A96.5Very high95.4Very high30 Ų3050.9 Ų50.925%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-67.9117.6174.100000110.6I21 I22 T39I21-A29 HydrophobicContact CG2-CB 3.98Å; I22-A29 CarbonylContact O-C 3.48Å; I22-A29 WeakPolarHBondContact O-CA 3.32Å; A29-T39 HydrophobicContact CB-CG2 3.33Å
30V94.7Very high95.4Very high65 Ų6556.1 Ų56.139%0.39432%0.32SS..EExtended strand (participates in β ladder)trans-84.8-36.4174.9-176.50000110.6I22 I28 Y86I22-V30 HydrophobicContact CG2-CB 4.46Å; I22-V30 PolarHBondContact O-N 3.06Å; I28-V30 PolarHBondContact O-N 2.86Å; V30-Y86 HydrophobicContact CG2-CD1 4.28Å; V30-Y86 HydrophobicContact CG2-CE1 3.97Å
31R95.1Very high95.3Very high123 Ų12361.9 Ų61.946%0.46435%0.347SS..EExtended strand (participates in β ladder)trans-143.1144.4173.9-69.6-64.9-179.1-99.95.2109.6E5 F8 I21 I22E5-R31 IonicContact OE1-CZ 3.61Å; E5-R31 IonicContact OE1-NE 3.59Å; E5-R31 PolarHBondContact OE1-NE 3.28Å; E5-R31 IonicContact OE1-NH2 2.9Å; F8-R31 HydrophobicContact CZ-CB 4.46Å; I21-R31 CarbonylContact C-O 3.26Å; I21-R31 WeakPolarHBondContact CA-O 3.17Å; I22-R31 HydrophobicContact CB-CB 4.22Å; I22-R31 HydrophobicContact CD1-CB 4.21Å; I22-R31 HydrophobicContact CG1-CB 4.4Å; I22-R31 PolarHBondContact N-O 3.3Å; I22-R31 PolarHBondContact O-N 3.48Å
32T97.2Very high95.2Very high45 Ų4563.9 Ų63.928%0.27636%0.355SS..EExtended strand (participates in β ladder)trans-151.7145.3176.1-178.20000109.1A20 M34 T39A20-T32 WeakPolarHBondContact O-CA 3.3Å; T32-M34 PolarHBondContact OG1-N 2.8Å; T32-T39 WeakPolarHBondContact CB-OG1 3.4Å; T32-T39 HydrophobicContact CG2-CG2 3.97Å; T32-T39 WeakPolarHBondContact CG2-OG1 3.44Å; T32-T39 PolarHBondContact OG1-OG1 3.22Å
33S97.3Very high95.1Very high51 Ų5162.7 Ų62.736%0.35735%0.349SS..SBendtrans-95.20.1167.171.40000112.6L12 G19 A20L12-S33 WeakPolarHBondContact CD2-OG 3.38Å; G19-S33 WeakPolarHBondContact CA-OG 3.47Å; A20-S33 PolarHBondContact N-OG 2.85Å; A20-S33 PolarHBondContact O-N 3.5Å
34M96.6Very high95.1Very high39 Ų3963.7 Ų63.719%0.19236%0.361CS..SBendtrans-106.9166.3-174.5-51.6-169.181.800110.7I21 T32 T38 T39 Y42 I91I21-M34 HydrophobicContact CD1-SD 4.23Å; I21-M34 HydrophobicContact CG1-SD 4.49Å; T32-M34 PolarHBondContact OG1-N 2.8Å; M34-T38 HydrophobicContact CE-CG2 3.45Å; M34-T38 VanDerWaalsContact CE-CG2 3.45Å; M34-T38 HydrophobicContact SD-CG2 4Å; M34-T39 PolarHBondContact O-OG1 3.19Å; M34-Y42 HydrophobicContact CE-CE2 4.16Å; M34-Y42 HydrophobicContact SD-CD2 4.19Å; M34-Y42 HydrophobicContact SD-CE2 4.16Å; M34-I91 HydrophobicContact SD-CD1 3.87Å
35D97.4Very high95.1Very high81 Ų8167.2 Ų67.243%0.43338%0.377SS..  trans-65158172.472.589.8000111.5S37 T38 T39D35-S37 VanDerWaalsContact C-N 3.29Å; D35-S37 PolarHBondContact O-N 2.83Å; D35-S37 WeakPolarHBondContact OD1-CA 3.35Å; D35-S37 WeakPolarHBondContact OD1-CB 3.47Å; D35-S37 PolarHBondContact OD1-N 3Å; D35-S37 PolarHBondContact OD1-OG 2.9Å; D35-T38 VanDerWaalsContact CG-OG1 3.32Å; D35-T38 PolarHBondContact O-N 3.5Å; D35-T38 PolarHBondContact OD1-N 2.83Å; D35-T38 PolarHBondContact OD1-OG1 3.48Å; D35-T38 WeakPolarHBondContact OD2-CB 3.26Å; D35-T38 PolarHBondContact OD2-OG1 3.02Å; D35-T39 VanDerWaalsContact O-CB 3.29Å; D35-T39 WeakPolarHBondContact O-CB 3.22Å; D35-T39 PolarHBondContact O-N 3.37Å; D35-T39 PolarHBondContact O-OG1 2.83Å
36N95.9Very high95.3Very high124 Ų12464.3 Ų64.366%0.66336%0.357SS*.Hα-helixtrans-60.5-36.4-174.9-68.7-12.2000113.1N40N36-N40 WeakPolarHBondContact O-CB 3.17Å; N36-N40 PolarHBondContact O-N 3.13Å; N36-N40 PolarHBondContact O-ND2 3.01Å
37S97.3Very high95.5Very high90 Ų9062.5 Ų62.563%0.62934%0.344SS*.Hα-helixtrans-69.8-46.5-176.673.40000111.2D35 N40 H41D35-S37 VanDerWaalsContact C-N 3.29Å; D35-S37 PolarHBondContact O-N 2.83Å; D35-S37 WeakPolarHBondContact OD1-CA 3.35Å; D35-S37 WeakPolarHBondContact OD1-CB 3.47Å; D35-S37 PolarHBondContact OD1-N 3Å; D35-S37 PolarHBondContact OD1-OG 2.9Å; S37-N40 PolarHBondContact O-N 3.01Å; S37-H41 PolarHBondContact O-N 3.45Å; S37-H41 VanDerWaalsContact O-N 3.13Å
38T96.4Very high95.8Very high42 Ų4267.6 Ų67.626%0.25836%0.364SS..Hα-helixtrans-64.5-42.8175.2-570000111.1M34 D35 N40 H41 Y42M34-T38 HydrophobicContact CE-CG2 3.45Å; M34-T38 VanDerWaalsContact CE-CG2 3.45Å; M34-T38 HydrophobicContact SD-CG2 4Å; D35-T38 VanDerWaalsContact CG-OG1 3.32Å; D35-T38 PolarHBondContact O-N 3.5Å; D35-T38 PolarHBondContact OD1-N 2.83Å; D35-T38 PolarHBondContact OD1-OG1 3.48Å; D35-T38 WeakPolarHBondContact OD2-CB 3.26Å; D35-T38 PolarHBondContact OD2-OG1 3.02Å; T38-N40 PolarHBondContact O-N 3.49Å; T38-H41 WeakPolarHBondContact O-CB 3.39Å; T38-H41 PolarHBondContact O-N 2.58Å; T38-Y42 HydrophobicContact CG2-CD2 3.65Å; T38-Y42 HydrophobicContact CG2-CE2 3.52Å; T38-Y42 VanDerWaalsContact O-CD2 3.3Å; T38-Y42 WeakPolarHBondContact O-CD2 3.37Å; T38-Y42 PolarHBondContact O-N 3.37Å
39T97.9Very high95.9Very high2 Ų265.3 Ų65.31%0.01235%0.352CS..Hα-helixtrans-57.2-52.1177.6-60.70000111.4I21 A29 T32 M34 D35 H41 Y42 C43I21-T39 HydrophobicContact CD1-CG2 4.22Å; I21-T39 HydrophobicContact CG2-CG2 3.94Å; A29-T39 HydrophobicContact CB-CG2 3.33Å; T32-T39 WeakPolarHBondContact CB-OG1 3.4Å; T32-T39 HydrophobicContact CG2-CG2 3.97Å; T32-T39 WeakPolarHBondContact CG2-OG1 3.44Å; T32-T39 PolarHBondContact OG1-OG1 3.22Å; M34-T39 PolarHBondContact O-OG1 3.19Å; D35-T39 VanDerWaalsContact O-CB 3.29Å; D35-T39 WeakPolarHBondContact O-CB 3.22Å; D35-T39 PolarHBondContact O-N 3.37Å; D35-T39 PolarHBondContact O-OG1 2.83Å; T39-H41 VanDerWaalsContact C-N 3.27Å; T39-H41 PolarHBondContact O-N 3.35Å; T39-Y42 PolarHBondContact O-N 2.84Å; T39-C43 PolarHBondContact O-N 3.27Å; T39-C43 PolarHBondContact O-SG 2.98Å
40N96.3Very high95.8Very high109 Ų10964.5 Ų64.558%0.58335%0.345SS*.Hα-helixtrans-61.5-37.7-179.9-71.6-19.4000112.1N36 S37 T38 G44N36-N40 WeakPolarHBondContact O-CB 3.17Å; N36-N40 PolarHBondContact O-N 3.13Å; N36-N40 PolarHBondContact O-ND2 3.01Å; S37-N40 PolarHBondContact O-N 3.01Å; T38-N40 PolarHBondContact O-N 3.49Å; N40-G44 PolarHBondContact O-N 3.44Å
41H95.7Very high95.8Very high121 Ų12164 Ų6456%0.5635%0.347SS*.Hα-helixtrans-62.5-48.1176.2-171.469.2000111.9S37 T38 T39 L45S37-H41 PolarHBondContact O-N 3.45Å; S37-H41 VanDerWaalsContact O-N 3.13Å; T38-H41 WeakPolarHBondContact O-CB 3.39Å; T38-H41 PolarHBondContact O-N 2.58Å; T39-H41 VanDerWaalsContact C-N 3.27Å; T39-H41 PolarHBondContact O-N 3.35Å; H41-L45 VanDerWaalsContact NE2-CD1 3.34Å; H41-L45 WeakPolarHBondContact NE2-CD1 3.27Å; H41-L45 WeakPolarHBondContact O-CG 3.37Å; H41-L45 PolarHBondContact O-N 3.03Å
42Y95.6Very high95.9Very high42 Ų4264.8 Ų64.817%0.16535%0.354CS..Hα-helixtrans-63.2-46.4176.2-84.5-72.1000112.3I21 M34 T38 T39 G44 L45 I46 I78 I91I21-Y42 HydrophobicContact CD1-CD2 4.33Å; I21-Y42 HydrophobicContact CD1-CG 4.24Å; M34-Y42 HydrophobicContact CE-CE2 4.16Å; M34-Y42 HydrophobicContact SD-CD2 4.19Å; M34-Y42 HydrophobicContact SD-CE2 4.16Å; T38-Y42 HydrophobicContact CG2-CD2 3.65Å; T38-Y42 HydrophobicContact CG2-CE2 3.52Å; T38-Y42 VanDerWaalsContact O-CD2 3.3Å; T38-Y42 WeakPolarHBondContact O-CD2 3.37Å; T38-Y42 PolarHBondContact O-N 3.37Å; T39-Y42 PolarHBondContact O-N 2.84Å; Y42-G44 PolarHBondContact O-N 2.8Å; Y42-L45 PolarHBondContact O-N 3.43Å; Y42-I46 HydrophobicContact CD1-CG1 4.46Å; Y42-I46 VanDerWaalsContact O-CB 3.24Å; Y42-I46 WeakPolarHBondContact O-CB 3.37Å; Y42-I46 VanDerWaalsContact O-CG1 3.26Å; Y42-I46 WeakPolarHBondContact O-CG1 3.48Å; Y42-I46 PolarHBondContact O-N 3.01Å; Y42-I78 HydrophobicContact CD1-CD1 4.47Å; Y42-I78 HydrophobicContact CE1-CD1 3.75Å; Y42-I78 HydrophobicContact CE1-CG1 4.23Å; Y42-I91 HydrophobicContact CD1-CG1 4.47Å; Y42-I91 HydrophobicContact CE1-CG1 3.99Å; Y42-I91 HydrophobicContact CE2-CG1 4.3Å
43C95.8Very high95.8Very high4 Ų463.8 Ų63.83%0.02735%0.348CS..Hα-helixtrans-55.3-50.4178.6-67.40000111.5V23 T39 L45 Q47V23-C43 HydrophobicContact CG1-CB 4.25Å; V23-C43 HydrophobicContact CG2-CB 4.48Å; V23-C43 WeakPolarHBondContact CG2-SG 3.48Å; T39-C43 PolarHBondContact O-N 3.27Å; T39-C43 PolarHBondContact O-SG 2.98Å; C43-L45 PolarHBondContact O-N 3.21Å; C43-Q47 WeakPolarHBondContact O-CB 3.47Å; C43-Q47 PolarHBondContact O-N 3.41Å
44G94.1Very high95.7Very high29 Ų2965 Ų6530%0.29935%0.345SS..Hα-helixtrans-64-41.8-17700000113.6N40 Y42 Q48N40-G44 PolarHBondContact O-N 3.44Å; Y42-G44 PolarHBondContact O-N 2.8Å; G44-Q48 WeakPolarHBondContact O-CG 3.4Å; G44-Q48 PolarHBondContact O-NE2 2.99Å
45L95Very high95.8Very high93 Ų9366.3 Ų66.349%0.48736%0.358SS..Hα-helixtrans-74.2-45.1179.5-69.1-179.3000112.4H41 Y42 C43 Q48 L49H41-L45 VanDerWaalsContact NE2-CD1 3.34Å; H41-L45 WeakPolarHBondContact NE2-CD1 3.27Å; H41-L45 WeakPolarHBondContact O-CG 3.37Å; H41-L45 PolarHBondContact O-N 3.03Å; Y42-L45 PolarHBondContact O-N 3.43Å; C43-L45 PolarHBondContact O-N 3.21Å; L45-Q48 PolarHBondContact O-N 2.89Å; L45-L49 WeakPolarHBondContact O-CB 3.47Å; L45-L49 PolarHBondContact O-N 3.43Å
46I94.7Very high95.8Very high9 Ų965 Ų655%0.04636%0.358CS..Hα-helixtrans-69.5-37.9-176.5-65.6-59.8000111.3Y42 Q48 L49 V50 I71 I78 V80 I89Y42-I46 HydrophobicContact CD1-CG1 4.46Å; Y42-I46 VanDerWaalsContact O-CB 3.24Å; Y42-I46 WeakPolarHBondContact O-CB 3.37Å; Y42-I46 VanDerWaalsContact O-CG1 3.26Å; Y42-I46 WeakPolarHBondContact O-CG1 3.48Å; Y42-I46 PolarHBondContact O-N 3.01Å; I46-Q48 VanDerWaalsContact C-N 3.35Å; I46-Q48 PolarHBondContact O-N 2.91Å; I46-L49 PolarHBondContact O-N 3.4Å; I46-V50 HydrophobicContact CG2-CG2 3.99Å; I46-V50 WeakPolarHBondContact O-CB 3.45Å; I46-V50 VanDerWaalsContact O-CG2 3.3Å; I46-V50 WeakPolarHBondContact O-CG2 3.34Å; I46-V50 PolarHBondContact O-N 2.99Å; I46-I71 HydrophobicContact CD1-CD1 4.14Å; I46-I78 HydrophobicContact CD1-CG2 3.98Å; I46-V80 HydrophobicContact CD1-CG2 4.13Å; I46-V80 HydrophobicContact CG2-CB 4.29Å; I46-V80 HydrophobicContact CG2-CG1 3.67Å; I46-V80 HydrophobicContact CG2-CG2 3.62Å; I46-I89 HydrophobicContact CB-CD1 3.82Å; I46-I89 HydrophobicContact CG1-CD1 4.08Å; I46-I89 HydrophobicContact CG2-CD1 3.7Å; I46-I89 HydrophobicContact CG2-CG1 4.01Å
47Q93.3Very high95.8Very high87 Ų8760.9 Ų60.941%0.40734%0.338SS..Hα-helixtrans-60.8-44.8176.3-173-178.81.100111.7S25 C43 L49 A51S25-Q47 PolarHBondContact O-NE2 3.23Å; C43-Q47 WeakPolarHBondContact O-CB 3.47Å; C43-Q47 PolarHBondContact O-N 3.41Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 3.33Å; Q47-A51 WeakPolarHBondContact O-CB 3.45Å; Q47-A51 PolarHBondContact O-N 3.22Å
48Q94.5Very high95.8Very high122 Ų12261.8 Ų61.857%0.5733%0.327SS*.Hα-helixtrans-63.6-40.5175.8-71.1178.754.400112G44 L45 I46 K52G44-Q48 WeakPolarHBondContact O-CG 3.4Å; G44-Q48 PolarHBondContact O-NE2 2.99Å; L45-Q48 PolarHBondContact O-N 2.89Å; I46-Q48 VanDerWaalsContact C-N 3.35Å; I46-Q48 PolarHBondContact O-N 2.91Å; Q48-K52 WeakPolarHBondContact O-CG 3.35Å; Q48-K52 PolarHBondContact O-N 3.42Å; Q48-K52 VanDerWaalsContact O-N 3.11Å
49L95.7Very high95.8Very high63 Ų6366.2 Ų66.233%0.3335%0.35SS..Hα-helixtrans-68.9-44179.7-176.458.7000112.1L45 I46 Q47 A51 K52 S53 L69 I71L45-L49 WeakPolarHBondContact O-CB 3.47Å; L45-L49 PolarHBondContact O-N 3.43Å; I46-L49 PolarHBondContact O-N 3.4Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 3.33Å; L49-A51 VanDerWaalsContact C-N 3.31Å; L49-A51 PolarHBondContact O-N 3.25Å; L49-K52 PolarHBondContact O-N 3.49Å; L49-S53 WeakPolarHBondContact O-CB 3.42Å; L49-S53 PolarHBondContact O-N 3.29Å; L49-S53 PolarHBondContact O-OG 2.73Å; L49-L69 HydrophobicContact CD2-CD2 3.89Å; L49-L69 HydrophobicContact CG-CD2 3.86Å; L49-I71 HydrophobicContact CD2-CD1 3.28Å; L49-I71 HydrophobicContact CD2-CG1 4.29Å
50V95.3Very high95.8Very high14 Ų1473.7 Ų73.79%0.08539%0.389CS..Hα-helixtrans-58.4-44.2174.8166.20000110.6I46 K52 S53 R54 L66 L69 V80 P82I46-V50 HydrophobicContact CG2-CG2 3.99Å; I46-V50 WeakPolarHBondContact O-CB 3.45Å; I46-V50 VanDerWaalsContact O-CG2 3.3Å; I46-V50 WeakPolarHBondContact O-CG2 3.34Å; I46-V50 PolarHBondContact O-N 2.99Å; V50-K52 PolarHBondContact O-N 2.98Å; V50-S53 PolarHBondContact O-N 3.27Å; V50-R54 HydrophobicContact CG1-CG 4.44Å; V50-R54 WeakPolarHBondContact O-CB 3.26Å; V50-R54 WeakPolarHBondContact O-CG 3.4Å; V50-R54 PolarHBondContact O-N 3.37Å; V50-L66 HydrophobicContact CG1-CD2 4.24Å; V50-L69 HydrophobicContact CG2-CD2 4.49Å; V50-V80 HydrophobicContact CG2-CG1 3.75Å; V50-P82 HydrophobicContact CG1-CB 3.74Å; V50-P82 HydrophobicContact CG1-CG 4.2Å; V50-P82 HydrophobicContact CG2-CB 4.49Å
51A94.5Very high95.8Very high53 Ų5371.5 Ų71.544%0.43838%0.377SS..Hα-helixtrans-59.6-47.7177.200000111.8Q47 L49 R54 S55Q47-A51 WeakPolarHBondContact O-CB 3.45Å; Q47-A51 PolarHBondContact O-N 3.22Å; L49-A51 VanDerWaalsContact C-N 3.31Å; L49-A51 PolarHBondContact O-N 3.25Å; A51-R54 PolarHBondContact O-N 2.89Å; A51-S55 PolarHBondContact O-N 2.75Å; A51-S55 PolarHBondContact O-OG 2.95Å
52K96.7Very high95.9Very high140 Ų14071.3 Ų71.361%0.60939%0.386SS*.Hα-helixtrans-63.6-43.8177.3-70.9171-175.7-70.40112.2Q48 L49 V50 S55 A56Q48-K52 WeakPolarHBondContact O-CG 3.35Å; Q48-K52 PolarHBondContact O-N 3.42Å; Q48-K52 VanDerWaalsContact O-N 3.11Å; L49-K52 PolarHBondContact O-N 3.49Å; V50-K52 PolarHBondContact O-N 2.98Å; K52-S55 PolarHBondContact O-N 3.44Å; K52-A56 PolarHBondContact O-N 3Å
53S96.5Very high96Very high24 Ų2474.6 Ų74.617%0.16842%0.415CS..Hα-helixtrans-64.5-39.4178.7-65.50000111.8L49 V50 A56 V57L49-S53 WeakPolarHBondContact O-CB 3.42Å; L49-S53 PolarHBondContact O-N 3.29Å; L49-S53 PolarHBondContact O-OG 2.73Å; V50-S53 PolarHBondContact O-N 3.27Å; S53-A56 PolarHBondContact O-N 2.82Å; S53-V57 WeakPolarHBondContact O-CG2 3.3Å; S53-V57 PolarHBondContact O-N 2.82Å
54R95.4Very high95.9Very high77 Ų7778.4 Ų78.429%0.29144%0.436SS..Hα-helixtrans-62.3-45.5173.1-77.9-178.182.7-176.811.1112.3V50 A51 A56 V57 R58 D65 L66V50-R54 HydrophobicContact CG1-CG 4.44Å; V50-R54 WeakPolarHBondContact O-CB 3.26Å; V50-R54 WeakPolarHBondContact O-CG 3.4Å; V50-R54 PolarHBondContact O-N 3.37Å; A51-R54 PolarHBondContact O-N 2.89Å; R54-A56 VanDerWaalsContact C-N 3.34Å; R54-V57 PolarHBondContact O-N 2.85Å; R54-R58 WeakPolarHBondContact O-CG 3.29Å; R54-R58 PolarHBondContact O-N 3.44Å; R54-D65 IonicContact CZ-OD1 3.46Å; R54-D65 IonicContact CZ-OD2 2.87Å; R54-D65 IonicContact NE-OD1 3.7Å; R54-D65 PolarHBondContact NE-OD1 2.99Å; R54-D65 IonicContact NE-OD2 2.58Å; R54-D65 IonicContact NH2-OD1 3.86Å; R54-D65 IonicContact NH2-OD2 3.88Å; R54-D65 PolarHBondContact NH2-OD2 3.32Å; R54-L66 HydrophobicContact CB-CB 4.43Å; R54-L66 HydrophobicContact CG-CB 3.45Å; R54-L66 VanDerWaalsContact CG-CB 3.45Å; R54-L66 HydrophobicContact CG-CD2 3.92Å; R54-L66 HydrophobicContact CG-CG 4.35Å
55S97Very high96Very high67 Ų6779.6 Ų79.647%0.46944%0.435SS..Hα-helixtrans-57.8-48174.1-66.50000111.1A51 K52 V57 R58 D59A51-S55 PolarHBondContact O-N 2.75Å; A51-S55 PolarHBondContact O-OG 2.95Å; K52-S55 PolarHBondContact O-N 3.44Å; S55-V57 PolarHBondContact O-N 3.41Å; S55-R58 PolarHBondContact O-N 3.29Å; S55-R58 VanDerWaalsContact O-N 3.13Å; S55-D59 WeakPolarHBondContact O-CB 3.37Å; S55-D59 PolarHBondContact O-N 2.88Å
56A97.5Very high96Very high52 Ų5276.2 Ų76.243%0.4342%0.417SS..Hα-helixtrans-61.2-39.8179.400000113.4K52 S53 R54 L60K52-A56 PolarHBondContact O-N 3Å; S53-A56 PolarHBondContact O-N 2.82Å; R54-A56 VanDerWaalsContact C-N 3.34Å; A56-L60 WeakPolarHBondContact O-CG 3.48Å; A56-L60 PolarHBondContact O-N 2.89Å
57V97.3Very high96Very high38 Ų3881.1 Ų81.123%0.2345%0.448CS..Hα-helixtrans-63.3-43.9174.6170.90000110.8S53 R54 S55 L60 D61 N64 L66S53-V57 WeakPolarHBondContact O-CG2 3.3Å; S53-V57 PolarHBondContact O-N 2.82Å; R54-V57 PolarHBondContact O-N 2.85Å; S55-V57 PolarHBondContact O-N 3.41Å; V57-L60 PolarHBondContact O-N 3.39Å; V57-D61 PolarHBondContact O-N 2.9Å; V57-N64 HydrophobicContact CG1-CB 4.09Å; V57-L66 HydrophobicContact CG2-CD1 4.38Å
58R96.4Very high96.2Very high109 Ų10981.4 Ų81.441%0.41145%0.448SS..Hα-helixtrans-72.2-29.3-179.1-71.7176.4-179.1-177.5-0.8113.9R54 S55 L60 D61 P62 N64 D65R54-R58 WeakPolarHBondContact O-CG 3.29Å; R54-R58 PolarHBondContact O-N 3.44Å; S55-R58 PolarHBondContact O-N 3.29Å; S55-R58 VanDerWaalsContact O-N 3.13Å; R58-L60 VanDerWaalsContact C-N 3.27Å; R58-D61 WeakPolarHBondContact CA-O 3.24Å; R58-D61 CarbonylContact O-C 3.57Å; R58-D61 VanDerWaalsContact O-C 3.26Å; R58-P62 WeakPolarHBondContact O-CA 3.49Å; R58-P62 WeakPolarHBondContact O-CD 3.49Å; R58-P62 VanDerWaalsContact O-N 3.13Å; R58-N64 WeakPolarHBondContact CG-O 3.41Å; R58-D65 IonicContact CZ-OD1 3.59Å; R58-D65 IonicContact CZ-OD2 3.65Å; R58-D65 IonicContact NE-OD1 3.64Å; R58-D65 IonicContact NH2-OD1 3.53Å; R58-D65 PolarHBondContact NH2-OD1 2.84Å; R58-D65 IonicContact NH2-OD2 2.74Å; R58-D65 PolarHBondContact NH2-OD2 3.06Å
59D97.4Very high96.3Very high136 Ų13677 Ų7773%0.72743%0.428SS*.Hα-helixtrans-66.9-32.3173.8-70.1-17.1000111.1S55S55-D59 WeakPolarHBondContact O-CB 3.37Å; S55-D59 PolarHBondContact O-N 2.88Å
60L97.1Very high96.4Very high159 Ų15980.8 Ų80.883%0.83244%0.438SS*.Hα-helixtrans-79.8-41.6174.7-67.6172.2000112.4A56 V57 R58A56-L60 WeakPolarHBondContact O-CG 3.48Å; A56-L60 PolarHBondContact O-N 2.89Å; V57-L60 PolarHBondContact O-N 3.39Å; R58-L60 VanDerWaalsContact C-N 3.27Å
61D97.4Very high96.4Very high63 Ų6382.8 Ų82.834%0.33745%0.448SS..  trans-145.7104.3177.4-179.3-4.6000110.4V57 R58 S63 N64V57-D61 PolarHBondContact O-N 2.9Å; R58-D61 WeakPolarHBondContact CA-O 3.24Å; R58-D61 CarbonylContact O-C 3.57Å; R58-D61 VanDerWaalsContact O-C 3.26Å; D61-S63 PolarHBondContact O-N 3.2Å; D61-S63 WeakPolarHBondContact OD1-CB 3.44Å; D61-S63 PolarHBondContact OD1-N 3.35Å; D61-S63 PolarHBondContact OD1-OG 2.94Å; D61-S63 PolarHBondContact OD2-OG 3.04Å; D61-N64 HydrophobicContact CB-CB 3.84Å; D61-N64 PolarHBondContact O-N 3.13Å
62P96.8Very high96.4Very high116 Ų11687.7 Ų87.775%0.75346%0.455SS*.THydrogen-bonded Turntrans-61.5-16.6-179.9-25.734.9000114.8R58R58-P62 WeakPolarHBondContact O-CA 3.49Å; R58-P62 WeakPolarHBondContact O-CD 3.49Å; R58-P62 VanDerWaalsContact O-N 3.13Å
63S96.8Very high96.3Very high111 Ų11184 Ų8478%0.77645%0.446SS*.THydrogen-bonded Turntrans-89.7-3.2177.273.80000113.8D61D61-S63 PolarHBondContact O-N 3.2Å; D61-S63 WeakPolarHBondContact OD1-CB 3.44Å; D61-S63 PolarHBondContact OD1-N 3.35Å; D61-S63 PolarHBondContact OD1-OG 2.94Å; D61-S63 PolarHBondContact OD2-OG 3.04Å
64N95.5Very high96.1Very high85 Ų8588.8 Ų88.846%0.45548%0.475SS..  trans-108.5164.5-176.1-155.4-11.2000112.2V57 R58 D61V57-N64 HydrophobicContact CG1-CB 4.09Å; R58-N64 WeakPolarHBondContact CG-O 3.41Å; D61-N64 HydrophobicContact CB-CB 3.84Å; D61-N64 PolarHBondContact O-N 3.13Å
65D95Very high95.9Very high53 Ų5394.6 Ų94.628%0.28350%0.497SS..  trans-146.2157.9177.4-152.6-4.9000111.9R54 R58 T67R54-D65 IonicContact CZ-OD1 3.46Å; R54-D65 IonicContact CZ-OD2 2.87Å; R54-D65 IonicContact NE-OD1 3.7Å; R54-D65 PolarHBondContact NE-OD1 2.99Å; R54-D65 IonicContact NE-OD2 2.58Å; R54-D65 IonicContact NH2-OD1 3.86Å; R54-D65 IonicContact NH2-OD2 3.88Å; R54-D65 PolarHBondContact NH2-OD2 3.32Å; R58-D65 IonicContact CZ-OD1 3.59Å; R58-D65 IonicContact CZ-OD2 3.65Å; R58-D65 IonicContact NE-OD1 3.64Å; R58-D65 IonicContact NH2-OD1 3.53Å; R58-D65 PolarHBondContact NH2-OD1 2.84Å; R58-D65 IonicContact NH2-OD2 2.74Å; R58-D65 PolarHBondContact NH2-OD2 3.06Å; D65-T67 PolarHBondContact O-N 3.37Å
66L95.6Very high95.7Very high22 Ų2294.2 Ų94.212%0.11549%0.49CS..  trans-70.2119.3175.8-175.669.9000109.8V50 R54 V57 L69 P82V50-L66 HydrophobicContact CG1-CD2 4.24Å; R54-L66 HydrophobicContact CB-CB 4.43Å; R54-L66 HydrophobicContact CG-CB 3.45Å; R54-L66 VanDerWaalsContact CG-CB 3.45Å; R54-L66 HydrophobicContact CG-CD2 3.92Å; R54-L66 HydrophobicContact CG-CG 4.35Å; V57-L66 HydrophobicContact CG2-CD1 4.38Å; L66-L69 HydrophobicContact CD2-CB 4.46Å; L66-P82 HydrophobicContact CD2-CG 4.07Å; L66-P82 HydrophobicContact CG-CG 4.22Å
67T95.3Very high95.7Very high113 Ų11392.3 Ų92.369%0.69347%0.472SS*.  trans-98.1-35.1176.855.20000112.5D65D65-T67 PolarHBondContact O-N 3.37Å
68F97.4Very high95.6Very high93 Ų9391.8 Ų91.841%0.40847%0.468SS..  trans-156.1141.8-175.6-165.6-101.6000110.8R70 M79 V80 A81F68-R70 HydrophobicContact CD1-CB 4.49Å; F68-R70 HydrophobicContact CE1-CB 4.06Å; F68-M79 HydrophobicContact CE1-CB 4.41Å; F68-M79 HydrophobicContact CE1-CE 4.11Å; F68-M79 HydrophobicContact CE1-CG 4.3Å; F68-M79 HydrophobicContact CE2-CB 4.39Å; F68-M79 HydrophobicContact CZ-CB 3.64Å; F68-M79 HydrophobicContact CZ-CE 3.51Å; F68-M79 HydrophobicContact CZ-CG 3.86Å; F68-V80 WeakPolarHBondContact CA-O 3.4Å; F68-V80 WeakPolarHBondContact CD2-O 3.41Å; F68-A81 HydrophobicContact CD2-CB 3.94Å; F68-A81 HydrophobicContact CE2-CB 4.1Å
69L96.7Very high95.7Very high28 Ų2889.1 Ų89.115%0.14746%0.46CS..EExtended strand (participates in β ladder)trans-127.1128.4176.4175.669.6000109.4L49 V50 L66 I71 M79 V80L49-L69 HydrophobicContact CD2-CD2 3.89Å; L49-L69 HydrophobicContact CG-CD2 3.86Å; V50-L69 HydrophobicContact CG2-CD2 4.49Å; L66-L69 HydrophobicContact CD2-CB 4.46Å; L69-I71 HydrophobicContact CD1-CG1 4.48Å; L69-I71 HydrophobicContact CD2-CD1 4.18Å; L69-I71 HydrophobicContact CD2-CG1 4.42Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.17Å; L69-M79 CarbonylContact O-C 3.52Å; L69-V80 HydrophobicContact CB-CB 4.22Å; L69-V80 PolarHBondContact N-O 3.49Å; L69-V80 PolarHBondContact O-N 3.11Å
70R96.9Very high95.7Very high143 Ų14382.6 Ų82.654%0.5443%0.426SS..EExtended strand (participates in β ladder)trans-123125.8177-175.9-175.4178.1166.114.4109.4F68 E77 I78 M79F68-R70 HydrophobicContact CD1-CB 4.49Å; F68-R70 HydrophobicContact CE1-CB 4.06Å; R70-E77 WeakPolarHBondContact CD-OE1 3.27Å; R70-E77 HydrophobicContact CG-CG 4.19Å; R70-E77 WeakPolarHBondContact CG-OE1 3.4Å; R70-E77 IonicContact CZ-OE1 3.02Å; R70-E77 IonicContact CZ-OE2 3.5Å; R70-E77 IonicContact NE-OE1 3.47Å; R70-E77 PolarHBondContact NE-OE1 3.3Å; R70-E77 IonicContact NE-OE2 2.85Å; R70-E77 PolarHBondContact NE-OE2 3.22Å; R70-E77 IonicContact NH2-OE1 2.96Å; R70-E77 PolarHBondContact NH2-OE1 3.41Å; R70-E77 IonicContact NH2-OE2 2.71Å; R70-E77 PolarHBondContact NH2-OE2 3.06Å; R70-I78 CarbonylContact C-O 3.58Å; R70-I78 WeakPolarHBondContact CA-O 3.48Å; R70-M79 HydrophobicContact CG-CG 4.46Å
71I95.6Very high95.7Very high57 Ų5776.8 Ų76.829%0.29240%0.401SS..EExtended strand (participates in β ladder)trans-122.3109.4179.8-50.2161.7000107I46 L49 L69 E77 I78I46-I71 HydrophobicContact CD1-CD1 4.14Å; L49-I71 HydrophobicContact CD2-CD1 3.28Å; L49-I71 HydrophobicContact CD2-CG1 4.29Å; L69-I71 HydrophobicContact CD1-CG1 4.48Å; L69-I71 HydrophobicContact CD2-CD1 4.18Å; L69-I71 HydrophobicContact CD2-CG1 4.42Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.17Å; I71-E77 CarbonylContact O-C 3.42Å; I71-E77 WeakPolarHBondContact O-CA 3.46Å; I71-I78 HydrophobicContact CB-CB 4.35Å; I71-I78 HydrophobicContact CD1-CB 4.48Å; I71-I78 PolarHBondContact N-O 3.48Å; I71-I78 PolarHBondContact O-N 2.99Å
72R95.2Very high95.6Very high155 Ų15574.8 Ų74.859%0.58539%0.391SS*.EExtended strand (participates in β ladder)trans-104.8128.4179-172.3173.4177.2159.70.1110.2T94R72-T94 HydrophobicContact CG-CG2 3.72Å
73S93.3Very high95.5Very high62 Ų6275 Ų7543%0.43439%0.385SS..  trans-112.3-176.3168.672.10000110R75 N76 T94S73-R75 VanDerWaalsContact C-N 3.28Å; S73-R75 PolarHBondContact O-N 2.95Å; S73-R75 PolarHBondContact OG-N 3.3Å; S73-N76 WeakPolarHBondContact CA-O 3.46Å; S73-N76 WeakPolarHBondContact CB-O 3.36Å; S73-N76 PolarHBondContact N-O 3.47Å; S73-N76 PolarHBondContact OG-N 2.9Å; S73-N76 PolarHBondContact OG-O 2.87Å; S73-T94 WeakPolarHBondContact O-CG2 3.25Å
74T93.1Very high95.1Very high125 Ų12579.7 Ų79.777%0.76739%0.386SS*.SBendtrans-67.7-26.8177.2-48.90000113.6T94T74-T94 PolarHBondContact O-OG1 3.07Å
75R91.5Very high95Very high200 Ų20080.7 Ų80.776%0.75539%0.391SS*.SBendtrans-112.8-34.7-176-67.1-173.5178.4-178.7-0.6113.4S73 E93 T94S73-R75 VanDerWaalsContact C-N 3.28Å; S73-R75 PolarHBondContact O-N 2.95Å; S73-R75 PolarHBondContact OG-N 3.3Å; R75-E93 WeakPolarHBondContact O-CA 3.38Å; R75-T94 VanDerWaalsContact CA-OG1 3.26Å; R75-T94 WeakPolarHBondContact CA-OG1 3.44Å; R75-T94 PolarHBondContact N-OG1 2.92Å; R75-T94 PolarHBondContact O-N 3.04Å; R75-T94 PolarHBondContact O-OG1 3.35Å; R75-T94 VanDerWaalsContact O-OG1 3.09Å
76N92.9Very high95Very high59 Ų5984.2 Ų84.232%0.31640%0.402SS..EExtended strand (participates in β ladder)trans-130.9149.5-170.2-58-42.9000111.5S73 Q92S73-N76 WeakPolarHBondContact CA-O 3.46Å; S73-N76 WeakPolarHBondContact CB-O 3.36Å; S73-N76 PolarHBondContact N-O 3.47Å; S73-N76 PolarHBondContact OG-N 2.9Å; S73-N76 PolarHBondContact OG-O 2.87Å; N76-Q92 CarbonylContact C-O 3.5Å; N76-Q92 VanDerWaalsContact CA-O 3.31Å; N76-Q92 WeakPolarHBondContact CA-O 3.49Å
77E95.9Very high95Very high11 Ų1184.4 Ų84.45%0.05141%0.405CS..EExtended strand (participates in β ladder)trans-122.1131.3169.6-177.4178.3156.700109.4R70 I71 M79 I91 Q92 T94R70-E77 WeakPolarHBondContact CD-OE1 3.27Å; R70-E77 HydrophobicContact CG-CG 4.19Å; R70-E77 WeakPolarHBondContact CG-OE1 3.4Å; R70-E77 IonicContact CZ-OE1 3.02Å; R70-E77 IonicContact CZ-OE2 3.5Å; R70-E77 IonicContact NE-OE1 3.47Å; R70-E77 PolarHBondContact NE-OE1 3.3Å; R70-E77 IonicContact NE-OE2 2.85Å; R70-E77 PolarHBondContact NE-OE2 3.22Å; R70-E77 IonicContact NH2-OE1 2.96Å; R70-E77 PolarHBondContact NH2-OE1 3.41Å; R70-E77 IonicContact NH2-OE2 2.71Å; R70-E77 PolarHBondContact NH2-OE2 3.06Å; I71-E77 CarbonylContact O-C 3.42Å; I71-E77 WeakPolarHBondContact O-CA 3.46Å; E77-M79 HydrophobicContact CG-CG 4.34Å; E77-I91 WeakPolarHBondContact O-CA 3.48Å; E77-Q92 HydrophobicContact CB-CB 4.44Å; E77-Q92 PolarHBondContact N-O 3.35Å; E77-Q92 PolarHBondContact O-N 2.86Å; E77-T94 HydrophobicContact CB-CG2 3.83Å
78I96.8Very high95Very high28 Ų2881.9 Ų81.914%0.14439%0.387CS..EExtended strand (participates in β ladder)trans-113.4122.1175.9-53.1164.4000107.8Y42 I46 R70 I71 V80 I89 V90Y42-I78 HydrophobicContact CD1-CD1 4.47Å; Y42-I78 HydrophobicContact CE1-CD1 3.75Å; Y42-I78 HydrophobicContact CE1-CG1 4.23Å; I46-I78 HydrophobicContact CD1-CG2 3.98Å; R70-I78 CarbonylContact C-O 3.58Å; R70-I78 WeakPolarHBondContact CA-O 3.48Å; I71-I78 HydrophobicContact CB-CB 4.35Å; I71-I78 HydrophobicContact CD1-CB 4.48Å; I71-I78 PolarHBondContact N-O 3.48Å; I71-I78 PolarHBondContact O-N 2.99Å; I78-V80 HydrophobicContact CG2-CG2 3.96Å; I78-I89 HydrophobicContact CG2-CG2 3.89Å; I78-V90 WeakPolarHBondContact CA-O 3.19Å
79M97.5Very high95Very high52 Ų5277.5 Ų77.526%0.25637%0.368SS..EExtended strand (participates in β ladder)trans-111.1125.3177.9-74.617485.300108.2F68 L69 R70 E77 I89 V90F68-M79 HydrophobicContact CE1-CB 4.41Å; F68-M79 HydrophobicContact CE1-CE 4.11Å; F68-M79 HydrophobicContact CE1-CG 4.3Å; F68-M79 HydrophobicContact CE2-CB 4.39Å; F68-M79 HydrophobicContact CZ-CB 3.64Å; F68-M79 HydrophobicContact CZ-CE 3.51Å; F68-M79 HydrophobicContact CZ-CG 3.86Å; L69-M79 CarbonylContact O-C 3.52Å; R70-M79 HydrophobicContact CG-CG 4.46Å; E77-M79 HydrophobicContact CG-CG 4.34Å; M79-I89 CarbonylContact O-C 3.55Å; M79-I89 WeakPolarHBondContact O-CA 3.5Å; M79-V90 HydrophobicContact CB-CB 4.21Å; M79-V90 PolarHBondContact N-O 3.35Å; M79-V90 PolarHBondContact O-N 3Å
80V97.8Very high95.1Very high0 Ų076.7 Ų76.70%036%0.364CS..EExtended strand (participates in β ladder)trans-126.5119.7-178.1-1700000108.7I46 V50 F68 L69 I78 P82 L88 I89I46-V80 HydrophobicContact CD1-CG2 4.13Å; I46-V80 HydrophobicContact CG2-CB 4.29Å; I46-V80 HydrophobicContact CG2-CG1 3.67Å; I46-V80 HydrophobicContact CG2-CG2 3.62Å; V50-V80 HydrophobicContact CG2-CG1 3.75Å; F68-V80 WeakPolarHBondContact CA-O 3.4Å; F68-V80 WeakPolarHBondContact CD2-O 3.41Å; L69-V80 HydrophobicContact CB-CB 4.22Å; L69-V80 PolarHBondContact N-O 3.49Å; L69-V80 PolarHBondContact O-N 3.11Å; I78-V80 HydrophobicContact CG2-CG2 3.96Å; V80-P82 VanDerWaalsContact O-CD 3.26Å; V80-P82 WeakPolarHBondContact O-CD 3.47Å; V80-L88 CarbonylContact C-O 3.57Å; V80-L88 WeakPolarHBondContact CA-O 3.37Å; V80-I89 HydrophobicContact CG1-CG1 4.31Å; V80-I89 HydrophobicContact CG2-CG2 4.47Å
81A96.8Very high95.1Very high37 Ų3770 Ų7031%0.30634%0.339SS..EExtended strand (participates in β ladder)trans-106.892.7170.100000108.1F68 S87 L88F68-A81 HydrophobicContact CD2-CB 3.94Å; F68-A81 HydrophobicContact CE2-CB 4.1Å; A81-S87 WeakPolarHBondContact O-CA 3.34Å; A81-L88 HydrophobicContact CB-CB 4.43Å; A81-L88 PolarHBondContact N-O 3.46Å; A81-L88 PolarHBondContact O-N 2.74Å
82P95.3Very high95.1Very high21 Ų2169.5 Ų69.514%0.13634%0.335CS..EExtended strand (participates in β ladder)trans-76.3136.5175.731.9-33.9000111.1V50 L66 V80 S87V50-P82 HydrophobicContact CG1-CB 3.74Å; V50-P82 HydrophobicContact CG1-CG 4.2Å; V50-P82 HydrophobicContact CG2-CB 4.49Å; L66-P82 HydrophobicContact CD2-CG 4.07Å; L66-P82 HydrophobicContact CG-CG 4.22Å; V80-P82 VanDerWaalsContact O-CD 3.26Å; V80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-S87 WeakPolarHBondContact CA-OG 3.42Å
83D93.9Very high95.1Very high119 Ų11968.3 Ų68.364%0.63634%0.336SS*.  trans-128.7179.9168.1-158.7-7.5000109.5Y86D83-Y86 WeakPolarHBondContact CA-O 3.47Å; D83-Y86 WeakPolarHBondContact CB-O 3.41Å; D83-Y86 PolarHBondContact N-O 2.64Å
84R89.6Confident94.8Very high211 Ų21165.8 Ų65.880%0.79632%0.318SS*.SBendtrans-58.8-49.9-175.7-66.1-176.5-175.7174.92112.7
85D92.9Very high94.1Very high105 Ų10564 Ų6456%0.56131%0.311SS*.SBendtrans-104-28.8-172-59.8-37.4000112.5S24 S25S24-D85 CarbonylContact C-O 3.59Å; S24-D85 WeakPolarHBondContact CA-O 3.46Å; S25-D85 PolarHBondContact N-O 2.9Å
86Y94.5Very high92.7Very high128 Ų12860.2 Ų60.250%0.50231%0.31SS..EExtended strand (participates in β ladder)trans-138.4146.1-175.9-58.8-78.3000111.5I22 V23 V30 D83I22-Y86 HydrophobicContact CG2-CD1 4.17Å; V23-Y86 CarbonylContact O-C 3.51Å; V23-Y86 VanDerWaalsContact O-CA 3.25Å; V23-Y86 WeakPolarHBondContact O-CA 3.47Å; V30-Y86 HydrophobicContact CG2-CD1 4.28Å; V30-Y86 HydrophobicContact CG2-CE1 3.97Å; D83-Y86 WeakPolarHBondContact CA-O 3.47Å; D83-Y86 WeakPolarHBondContact CB-O 3.41Å; D83-Y86 PolarHBondContact N-O 2.64Å
87S95.2Very high90.7Very high26 Ų2669.7 Ų69.718%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-119.1133.2170.3-63.30000109.6I22 V23 A81 P82I22-S87 WeakPolarHBondContact CA-O 3.37Å; V23-S87 PolarHBondContact N-O 2.87Å; V23-S87 PolarHBondContact O-N 3.06Å; A81-S87 WeakPolarHBondContact O-CA 3.34Å; P82-S87 WeakPolarHBondContact CA-OG 3.42Å
88L96.8Very high90.5Very high59 Ų5972.6 Ų72.631%0.30937%0.367SS..EExtended strand (participates in β ladder)trans-95.4125.6171.2177.766.9000109.3L11 I22 V80 A81 V90L11-L88 HydrophobicContact CD2-CD1 4.03Å; L11-L88 HydrophobicContact CD2-CD2 4.22Å; I22-L88 HydrophobicContact CG1-CD1 3.97Å; V80-L88 CarbonylContact C-O 3.57Å; V80-L88 WeakPolarHBondContact CA-O 3.37Å; A81-L88 HydrophobicContact CB-CB 4.43Å; A81-L88 PolarHBondContact N-O 3.46Å; A81-L88 PolarHBondContact O-N 2.74Å; L88-V90 HydrophobicContact CD1-CG2 4.35Å; L88-V90 HydrophobicContact CD2-CG2 4.15Å; L88-V90 HydrophobicContact CG-CG2 3.98Å
89I97.4Very high90.2Very high2 Ų274.9 Ų74.91%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-112.9128173.6-52.3173.1000107.5A20 I21 V23 I46 I78 M79 V80 I91A20-I89 CarbonylContact C-O 3.56Å; A20-I89 VanDerWaalsContact CA-O 3.22Å; A20-I89 WeakPolarHBondContact CA-O 3.18Å; I21-I89 HydrophobicContact CB-CB 4.25Å; I21-I89 PolarHBondContact N-O 2.79Å; I21-I89 PolarHBondContact O-N 2.97Å; V23-I89 HydrophobicContact CG2-CD1 3.62Å; V23-I89 HydrophobicContact CG2-CG1 4.29Å; I46-I89 HydrophobicContact CB-CD1 3.82Å; I46-I89 HydrophobicContact CG1-CD1 4.08Å; I46-I89 HydrophobicContact CG2-CD1 3.7Å; I46-I89 HydrophobicContact CG2-CG1 4.01Å; I78-I89 HydrophobicContact CG2-CG2 3.89Å; M79-I89 CarbonylContact O-C 3.55Å; M79-I89 WeakPolarHBondContact O-CA 3.5Å; V80-I89 HydrophobicContact CG1-CG1 4.31Å; V80-I89 HydrophobicContact CG2-CG2 4.47Å; I89-I91 HydrophobicContact CG2-CD1 3.94Å
90V97.7Very high89.7Confident10 Ų1076.2 Ų76.26%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-123.2129.3175-171.90000108.5L11 V17 I78 M79 L88 Q92L11-V90 HydrophobicContact CD1-CG2 4.28Å; L11-V90 HydrophobicContact CD2-CG2 3.86Å; L11-V90 HydrophobicContact CG-CG2 4.45Å; V17-V90 HydrophobicContact CG1-CG1 4.02Å; V17-V90 HydrophobicContact CG2-CG1 4.15Å; I78-V90 WeakPolarHBondContact CA-O 3.19Å; M79-V90 HydrophobicContact CB-CB 4.21Å; M79-V90 PolarHBondContact N-O 3.35Å; M79-V90 PolarHBondContact O-N 3Å; L88-V90 HydrophobicContact CD1-CG2 4.35Å; L88-V90 HydrophobicContact CD2-CG2 4.15Å; L88-V90 HydrophobicContact CG-CG2 3.98Å; V90-Q92 HydrophobicContact CG1-CG 3.95Å
91I96.9Very high89.3Confident2 Ų280.7 Ų80.71%0.0141%0.409CS..EExtended strand (participates in β ladder)trans-108.7124.7177.4-5784.3000107.1I18 G19 I21 M34 Y42 E77 I89I18-I91 HydrophobicContact CB-CG2 4.34Å; I18-I91 HydrophobicContact CD1-CG2 4.38Å; I18-I91 PolarHBondContact N-O 3.44Å; G19-I91 PolarHBondContact N-O 3.16Å; G19-I91 PolarHBondContact O-N 2.79Å; I21-I91 HydrophobicContact CD1-CD1 4.38Å; I21-I91 HydrophobicContact CG1-CD1 4.48Å; M34-I91 HydrophobicContact SD-CD1 3.87Å; Y42-I91 HydrophobicContact CD1-CG1 4.47Å; Y42-I91 HydrophobicContact CE1-CG1 3.99Å; Y42-I91 HydrophobicContact CE2-CG1 4.3Å; E77-I91 WeakPolarHBondContact O-CA 3.48Å; I89-I91 HydrophobicContact CG2-CD1 3.94Å
92Q95.9Very high88.8Confident47 Ų4783.4 Ų83.422%0.2242%0.415CS..EExtended strand (participates in β ladder)trans-125.9148.6-180-54.7-173.5-25.500110.5G16 V17 N76 E77 V90G16-Q92 CarbonylContact O-C 3.54Å; G16-Q92 WeakPolarHBondContact O-CA 3.45Å; G16-Q92 WeakPolarHBondContact O-CB 3.43Å; V17-Q92 HydrophobicContact CG2-CG 4Å; N76-Q92 CarbonylContact C-O 3.5Å; N76-Q92 VanDerWaalsContact CA-O 3.31Å; N76-Q92 WeakPolarHBondContact CA-O 3.49Å; E77-Q92 HydrophobicContact CB-CB 4.44Å; E77-Q92 PolarHBondContact N-O 3.35Å; E77-Q92 PolarHBondContact O-N 2.86Å; V90-Q92 HydrophobicContact CG1-CG 3.95Å
93E95Very high88.4Confident131 Ų13187.6 Ų87.661%0.61243%0.434SS*.EExtended strand (participates in β ladder)trans-70134.8164.2-171.6171.5-141.700108.4G16 I18 R75 S95G16-E93 PolarHBondContact O-N 3.47Å; I18-E93 HydrophobicContact CD1-CB 3.95Å; I18-E93 HydrophobicContact CG1-CB 4.29Å; R75-E93 WeakPolarHBondContact O-CA 3.38Å; E93-S95 PolarHBondContact O-N 2.91Å
94T88.2Confident88Confident9 Ų985.4 Ų85.46%0.05542%0.419CS..  trans-77.1112.5167.949.70000108.2R72 S73 T74 R75 E77 T96R72-T94 HydrophobicContact CG-CG2 3.72Å; S73-T94 WeakPolarHBondContact O-CG2 3.25Å; T74-T94 PolarHBondContact O-OG1 3.07Å; R75-T94 VanDerWaalsContact CA-OG1 3.26Å; R75-T94 WeakPolarHBondContact CA-OG1 3.44Å; R75-T94 PolarHBondContact N-OG1 2.92Å; R75-T94 PolarHBondContact O-N 3.04Å; R75-T94 PolarHBondContact O-OG1 3.35Å; R75-T94 VanDerWaalsContact O-OG1 3.09Å; E77-T94 HydrophobicContact CB-CG2 3.83Å; T94-T96 PolarHBondContact O-N 3.35Å
95S77.2Confident87.9Confident87 Ų8775.7 Ų75.761%0.60839%0.39SS*.  trans-58.1117.4165.959.40000108.3E93E93-S95 PolarHBondContact O-N 2.91Å
96T62.5Low87.4Confident121 Ų12173.3 Ų73.374%0.74238%0.376SS*.  trans-75.3114.6152.924.80000104.6T94T94-T96 PolarHBondContact O-N 3.35Å
97E51.7Low86.8Confident257 Ų25768.3 Ų68.3100%1.20137%0.365SS*.  trans-57.10162-72176.717000109.9

Retrieved 97 of 97 residues in 23.4 ms (Link to these results)

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